General Information of the Compound
| Compound ID |
CP0419333
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| Compound Name |
US9216182, 1.50
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| Structure |
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| Formula |
C20H27N5O2
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| Molecular Weight |
369.469
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| Canonical SMILES |
O=C(OC1CCN(CC1)c1cccc(n1)[N+]#[C-])N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C20H27N5O2/c1-21-18-6-3-7-19(22-18)24-10-8-17(9-11-24)27-20(26)25-14-12-23(13-15-25)16-4-2-5-16/h3,6-7,16-17H,2,4-5,8-15H2
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| InChIKey |
NISFSIYBYOSTRE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound